Title: Equilibrium C−F Bond Length and the Structure of Formyl Fluoride, Difluorocarbene, Monofluoromethylene, and Difluoromethane
Abstract: Highly correlated ab initio calculations with large basis sets are reported for formyl fluoride, OCHF; difluorocarbene, CF2; monofluoromethylene, CHF, and difluoromethane, CH2F2. Based on CCSD(T)/cc-pVQZ results (including a correction for the effect of diffuse functions on fluorine and oxygen), equilibrium structures are derived. These structures are compared to experimental results, when available, and to those of similar molecules; and their accuracy is discussed.
Publication Year: 1999
Publication Date: 1999-09-01
Language: en
Type: article
Indexed In: ['crossref']
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Cited By Count: 53
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